[2-oxo-2-(4-phenoxyanilino)ethyl] 4-methoxy-3-(propan-2-ylsulfamoyl)benzoate

C25H26N2O7S — CID 42984956

IUPAC[2-oxo-2-(4-phenoxyanilino)ethyl] 4-methoxy-3-(propan-2-ylsulfamoyl)benzoate
SMILESCOc1ccc(C(=O)OCC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1S(=O)(=O)NC(C)C
InChIInChI=1S/C25H26N2O7S/c1-17(2)27-35(30,31)23-15-18(9-14-22(23)32-3)25(29)33-16-24(28)26-19-10-12-21(13-11-19)34-20-7-5-4-6-8-20/h4-15,17,27H,16H2,1-3H3,(H,26,28)
InChIKeyFUQWSEQNGUSKSG-UHFFFAOYSA-N
MW498.56 g/mol
LogP3.97
Rot. Bonds10

About [2-oxo-2-(4-phenoxyanilino)ethyl] 4-methoxy-3-(propan-2-ylsulfamoyl)benzoate

[2-oxo-2-(4-phenoxyanilino)ethyl] 4-methoxy-3-(propan-2-ylsulfamoyl)benzoate (PubChem CID 42984956) has the molecular formula C25H26N2O7S and a molecular weight of 498.56 g/mol. Its IUPAC name is [2-oxo-2-(4-phenoxyanilino)ethyl] 4-methoxy-3-(propan-2-ylsulfamoyl)benzoate.

Molecular Properties

Compound Name[2-oxo-2-(4-phenoxyanilino)ethyl] 4-methoxy-3-(propan-2-ylsulfamoyl)benzoate
PubChem CID42984956
Molecular FormulaC25H26N2O7S
Molecular Weight498.56 g/mol
Exact Mass498.15
IUPAC Name[2-oxo-2-(4-phenoxyanilino)ethyl] 4-methoxy-3-(propan-2-ylsulfamoyl)benzoate
SMILESCOc1ccc(C(=O)OCC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1S(=O)(=O)NC(C)C
InChIInChI=1S/C25H26N2O7S/c1-17(2)27-35(30,31)23-15-18(9-14-22(23)32-3)25(29)33-16-24(28)26-19-10-12-21(13-11-19)34-20-7-5-4-6-8-20/h4-15,17,27H,16H2,1-3H3,(H,26,28)
InChIKeyFUQWSEQNGUSKSG-UHFFFAOYSA-N
XLogP3.97
TPSA120.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.56
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [2-oxo-2-(4-phenoxyanilino)ethyl] 4-methoxy-3-(propan-2-ylsulfamoyl)benzoate with MolForge

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Related Compounds

[2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]-2-oxoethyl] 4-methoxy-3-(propan-2-ylsulfamoyl)benzoate
CID 55378904
[2-oxo-2-(4-phenoxyanilino)ethyl] 4-phenoxybenzoate
CID 17259515
(4-phenylphenyl)methyl 4-methoxy-3-(propan-2-ylsulfamoyl)benzoate
CID 16598631
[2-oxo-2-(4-propan-2-ylanilino)ethyl] 4-phenoxybenzoate
CID 7859725
[2-oxo-2-(4-phenoxyanilino)ethyl] 4-(carbamoylamino)benzoate
CID 2527993
[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] 4-phenoxybenzoate
CID 55397543
[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl] 4-methoxy-3-(propan-2-ylsulfamoyl)benzoate
CID 41121857
[2-oxo-2-(4-phenoxyanilino)ethyl] 4-methylsulfonyl-3-nitrobenzoate
CID 2620623
[2-oxo-2-(4-phenoxyanilino)ethyl] 4-hydroxybenzoate
CID 2387838
[2-oxo-2-(4-phenoxyanilino)ethyl] (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate
CID 55927905
[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 4-methoxy-3-(methylsulfamoyl)benzoate
CID 7974236
[2-(4-methoxyanilino)-2-oxoethyl] 3-amino-4-methoxybenzoate
CID 53270028

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-phenoxyanilino)ethyl] 4-methoxy-3-(propan-2-ylsulfamoyl)benzoate?
The IUPAC name of [2-oxo-2-(4-phenoxyanilino)ethyl] 4-methoxy-3-(propan-2-ylsulfamoyl)benzoate (CID 42984956) is [2-oxo-2-(4-phenoxyanilino)ethyl] 4-methoxy-3-(propan-2-ylsulfamoyl)benzoate.
What is the SMILES notation for [2-oxo-2-(4-phenoxyanilino)ethyl] 4-methoxy-3-(propan-2-ylsulfamoyl)benzoate?
The canonical SMILES for [2-oxo-2-(4-phenoxyanilino)ethyl] 4-methoxy-3-(propan-2-ylsulfamoyl)benzoate is COc1ccc(C(=O)OCC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1S(=O)(=O)NC(C)C.
What is the InChIKey of [2-oxo-2-(4-phenoxyanilino)ethyl] 4-methoxy-3-(propan-2-ylsulfamoyl)benzoate?
The InChIKey is FUQWSEQNGUSKSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O7S/c1-17(2)27-35(30,31)23-15-18(9-14-22(23)32-3)25(29)33-16-24(28)26-19-10-12-21(13-11-19)34-20-7-5-4-6-8-20/h4-15,17,27H,16H2,1-3H3,(H,26,28).
What are the key properties of [2-oxo-2-(4-phenoxyanilino)ethyl] 4-methoxy-3-(propan-2-ylsulfamoyl)benzoate?
[2-oxo-2-(4-phenoxyanilino)ethyl] 4-methoxy-3-(propan-2-ylsulfamoyl)benzoate has a molecular weight of 498.56 g/mol, XLogP of 3.97, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(4-phenoxyanilino)ethyl] 4-methoxy-3-(propan-2-ylsulfamoyl)benzoate is sourced from PubChem (CID 42984956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).